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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N4O5
Molecular Weight 490.5509
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(O)=O

InChI

InChIKey=GSUPGJSDZRRIKZ-GOTSBHOMSA-N
InChI=1S/C27H30N4O5/c1-16(2)23(30-27(35)36-3)25(32)31-14-4-5-22(31)24-28-15-21(29-24)19-10-6-17(7-11-19)18-8-12-20(13-9-18)26(33)34/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,28,29)(H,30,35)(H,33,34)/t22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30N4O5
Molecular Weight 490.5509
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:35:05 UTC 2023
Edited
by admin
on Sat Dec 16 14:35:05 UTC 2023
Record UNII
4K8JA2N2S8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID
Systematic Name English
DACLATASVIR METABOLITE 26
Common Name English
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
4K8JA2N2S8
Created by admin on Sat Dec 16 14:35:05 UTC 2023 , Edited by admin on Sat Dec 16 14:35:05 UTC 2023
PRIMARY
PUBCHEM
67494743
Created by admin on Sat Dec 16 14:35:05 UTC 2023 , Edited by admin on Sat Dec 16 14:35:05 UTC 2023
PRIMARY
CAS
1374891-48-1
Created by admin on Sat Dec 16 14:35:05 UTC 2023 , Edited by admin on Sat Dec 16 14:35:05 UTC 2023
PRIMARY
Related Record Type Details
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